N-(cyclobutylmethyl)-1-benzothiophen-5-amine

C13H15NS — CID 65457353

IUPACN-(cyclobutylmethyl)-1-benzothiophen-5-amine
SMILESc1cc2cc(NCC3CCC3)ccc2s1
InChIInChI=1S/C13H15NS/c1-2-10(3-1)9-14-12-4-5-13-11(8-12)6-7-15-13/h4-8,10,14H,1-3,9H2
InChIKeyPYEGNCRVMLLBGS-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.11
Rot. Bonds3

About N-(cyclobutylmethyl)-1-benzothiophen-5-amine

N-(cyclobutylmethyl)-1-benzothiophen-5-amine (PubChem CID 65457353) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-benzothiophen-5-amine
PubChem CID65457353
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC NameN-(cyclobutylmethyl)-1-benzothiophen-5-amine
SMILESc1cc2cc(NCC3CCC3)ccc2s1
InChIInChI=1S/C13H15NS/c1-2-10(3-1)9-14-12-4-5-13-11(8-12)6-7-15-13/h4-8,10,14H,1-3,9H2
InChIKeyPYEGNCRVMLLBGS-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-benzothiophen-5-amine
CID 43687653
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
CID 112589195
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
(2R)-1-(1-benzothiophen-5-ylamino)propan-2-ol
CID 106932216
4-[(1-benzothiophen-5-ylamino)methyl]phenol
CID 43687694
N-(3-methylbut-2-enyl)-1-benzothiophen-5-amine
CID 107900022
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
2-(1-benzothiophen-5-ylamino)ethanesulfonamide
CID 114385062
4-amino-N-(1-benzothiophen-5-yl)cyclohexane-1-carboxamide
CID 60848684

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-benzothiophen-5-amine (CID 65457353) is N-(cyclobutylmethyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-benzothiophen-5-amine is c1cc2cc(NCC3CCC3)ccc2s1.
What is the InChIKey of N-(cyclobutylmethyl)-1-benzothiophen-5-amine?
The InChIKey is PYEGNCRVMLLBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-10(3-1)9-14-12-4-5-13-11(8-12)6-7-15-13/h4-8,10,14H,1-3,9H2.
What are the key properties of N-(cyclobutylmethyl)-1-benzothiophen-5-amine?
N-(cyclobutylmethyl)-1-benzothiophen-5-amine has a molecular weight of 217.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 65457353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).